SCHEMBL20897604

SCHEMBL20897604

COC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ATM Q13315 1/20 0.57
MGLL Q99685 1/20 0.54
GPR119 Q8TDV5 2/20 0.54
UTRN P46939 1/20 0.52
HDAC6 Q9UBN7 4/20 0.48
TP53 P04637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20897616 0.87 MAPT (0.67) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL31261526 0.86 TTR (0.58) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL438176 0.86 TTR (0.58) RAB9AMAPTALDH1A1NPC1KDM4E
SCHEMBL20898075 0.85 MAPT (0.60) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL144958 0.83 MAPT (0.71) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL20897861 0.83 MAPT (0.60) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL5834871 0.83 RAB9A (0.62) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL20897608 0.81 MAPT (0.58) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL18003207 0.81 GPR119 (0.62) RAB9AMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL20898270 0.80 RAB9A (0.57) RAB9AMAPTALDH1A1NPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG RAB9A 361/4885MAPT 1294/4885ALDH1A1 3240/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG RAB9A 361/4885MAPT 1294/4885ALDH1A1 3240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.